SCHEMBL6850684

SCHEMBL6850684

Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
NOTUM Q6P988 2/20 0.44
HDAC4 P56524 2/20 0.43
DHODH Q02127 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30661704 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KMT2APOLB
SCHEMBL17055371 0.82 HDAC4 (0.43) SLC6A2SLC6A4SLC6A3HDAC4DHODH
SCHEMBL17055378 0.81 HDAC4 (0.40) SLC6A2SLC6A4SLC6A3KMT2AHDAC4
SCHEMBL13458062 0.80 GABRA1 (0.52) KMT2ANOTUMHDAC4DHODHNPC1
SCHEMBL121970 0.79 RAB9A (0.50) KMT2ANOTUMHDAC4DHODHNPC1
SCHEMBL29959678 0.79 RAB9A (0.50) KMT2ANOTUMHDAC4DHODHNPC1
SCHEMBL17055432 0.79 WNT3A (0.43) SLC6A2SLC6A4SLC6A3HDAC4DHODH
SCHEMBL8467926 0.78 HDAC4 (0.46) KMT2AHDAC4DHODHNPC1RAB9A
SCHEMBL218007 0.78 L3MBTL1 (0.49) SLC6A2SLC6A4SLC6A3NOTUMHDAC4
SCHEMBL3458918 0.78 NPY5R (0.47) KMT2ANOTUMHDAC4DHODHNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
CN-117050020-A Synthesis method of pyridazine 温州大学新材料与产业技术研究院 2023-11-14 CN disclosed
CN-107663374-B Resin composition, semi-cured sheet and laminate 台燿科技股份有限公司 2020-02-11 CN disclosed
CN-105992767-B WNT pathway modulators 新加坡科技研究局 2019-06-21 CN disclosed
CN-106061974-B Maleimide derivatives as the conditioning agent of WNT approach 新加坡科技研究局 2018-04-20 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 SLC6A2 4884/4885SLC6A4 4850/4885SLC6A3 4785/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E SLC6A2 4883/4885SLC6A4 4850/4885SLC6A3 4802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.